Chemical Properties of Desethylchloroquine (CAS 1476-52-4)

InChI

InChI=1S/C16H22ClN3/c1-3-18-9-4-5-12(2)20-15-8-10-19-16-11-13(17)6-7-14(15)16/h6-8,10-12,18H,3-5,9H2,1-2H3,(H,19,20)

InChI Key

MCYUUUTUAAGOOT-UHFFFAOYSA-N

Formula

C16H22ClN3

SMILES

CCNCCCC(C)Nc1ccnc2cc(Cl)ccc12

Molecular Weight¹

291.82

CAS

1476-52-4

Other Names

• 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1-ethyl-
• NSC 13254
• Chloroquine M (des-ethyl)

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-5.55		Crippen Calculated Property
logPoct/wat	4.078		Crippen Calculated Property
McVol	235.260	ml/mol	McGowan Calculated Property
Inp	[2575.00; 2575.00]
Inp	2575.00		NIST
Inp	2575.00		NIST

Similar Compounds

Find more compounds similar to Desethylchloroquine.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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